[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: (4-isopropoxyphenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2/c1-16(2)25-19-11-9-18(10-12-19)21(24)23-14-13-22(3)15-20(23)17-7-5-4-6-8-17/h4-12,16,20H,13-15H2,1-3H3/p+1/t20-/m0/s1